4-(3,3-dimethylbutan-2-ylamino)-N-methylbutanamide

C11H24N2O — CID 115714185

IUPAC4-(3,3-dimethylbutan-2-ylamino)-N-methylbutanamide
SMILESCNC(=O)CCCNC(C)C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-9(11(2,3)4)13-8-6-7-10(14)12-5/h9,13H,6-8H2,1-5H3,(H,12,14)
InChIKeyQODRIMIPVZWUHC-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.54
Rot. Bonds5

About 4-(3,3-dimethylbutan-2-ylamino)-N-methylbutanamide

4-(3,3-dimethylbutan-2-ylamino)-N-methylbutanamide (PubChem CID 115714185) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-(3,3-dimethylbutan-2-ylamino)-N-methylbutanamide.

Molecular Properties

Compound Name4-(3,3-dimethylbutan-2-ylamino)-N-methylbutanamide
PubChem CID115714185
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-(3,3-dimethylbutan-2-ylamino)-N-methylbutanamide
SMILESCNC(=O)CCCNC(C)C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-9(11(2,3)4)13-8-6-7-10(14)12-5/h9,13H,6-8H2,1-5H3,(H,12,14)
InChIKeyQODRIMIPVZWUHC-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-(propan-2-ylamino)butanamide
CID 21054795
ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate
CID 63890128
N-methyl-4-(sulfanylamino)butanamide
CID 59695052
methyl 4-methyl-2-[[4-(methylamino)-4-oxobutyl]amino]pentanoate
CID 63892059
N-[(2R)-butan-2-yl]-3-[[(2R)-3,3-dimethylbutan-2-yl]amino]propanamide
CID 97230749
N-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide
CID 97230748
N,N'-dimethylheptanediamide
CID 15166696
N-methyl-4-(methylamino)butanamide;molecular hydrogen
CID 176574478
N-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butanamide
CID 63892682
N,7,7-trimethyl-6-oxooctanamide
CID 149454970
N-(3-ethylsulfonylpropyl)-3,3-dimethylbutan-2-amine
CID 115647762
4-(3-ethylpentan-3-ylamino)-N-methylbutanamide
CID 65039652

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutan-2-ylamino)-N-methylbutanamide?
The IUPAC name of 4-(3,3-dimethylbutan-2-ylamino)-N-methylbutanamide (CID 115714185) is 4-(3,3-dimethylbutan-2-ylamino)-N-methylbutanamide.
What is the SMILES notation for 4-(3,3-dimethylbutan-2-ylamino)-N-methylbutanamide?
The canonical SMILES for 4-(3,3-dimethylbutan-2-ylamino)-N-methylbutanamide is CNC(=O)CCCNC(C)C(C)(C)C.
What is the InChIKey of 4-(3,3-dimethylbutan-2-ylamino)-N-methylbutanamide?
The InChIKey is QODRIMIPVZWUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(11(2,3)4)13-8-6-7-10(14)12-5/h9,13H,6-8H2,1-5H3,(H,12,14).
What are the key properties of 4-(3,3-dimethylbutan-2-ylamino)-N-methylbutanamide?
4-(3,3-dimethylbutan-2-ylamino)-N-methylbutanamide has a molecular weight of 200.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutan-2-ylamino)-N-methylbutanamide is sourced from PubChem (CID 115714185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).